Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc4sc(/C=C/S(=O)(=O)N3CC(=O)N(Cc2cc1cnccc1n2)CC3)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | Clc1sc(cc1)/C=C/[S](=O)(=O)N2CCN(Cc3[nH]c4ccncc4c3)C(=O)C2 |
SMILES | CACTVS | 3.341 | Clc1sc(cc1)C=C[S](=O)(=O)N2CCN(Cc3[nH]c4ccncc4c3)C(=O)C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(sc1\C=C\S(=O)(=O)[N@]2CCN(C(=O)C2)Cc3cc4cnccc4[nH]3)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(sc1C=CS(=O)(=O)N2CCN(C(=O)C2)Cc3cc4cnccc4[nH]3)Cl |
InChI | InChI | 1.03 | InChI=1S/C18H17ClN4O3S2/c19-17-2-1-15(27-17)4-8-28(25,26)23-7-6-22(18(24)12-23)11-14-9-13-10-20-5-3-16(13)21-14/h1-5,8-10,21H,6-7,11-12H2/b8-4+ |
InChIKey | InChI | 1.03 | PLWVUIRWJVKSSD-XBXARRHUSA-N |